1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanone

C13H12N2O2S — CID 63381107

IUPAC1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanone
SMILESCOc1ccc(C(=O)CSc2cnccn2)cc1
InChIInChI=1S/C13H12N2O2S/c1-17-11-4-2-10(3-5-11)12(16)9-18-13-8-14-6-7-15-13/h2-8H,9H2,1H3
InChIKeyXHGHXTQOSHTODG-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.46
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanone

1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanone (PubChem CID 63381107) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanone
PubChem CID63381107
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanone
SMILESCOc1ccc(C(=O)CSc2cnccn2)cc1
InChIInChI=1S/C13H12N2O2S/c1-17-11-4-2-10(3-5-11)12(16)9-18-13-8-14-6-7-15-13/h2-8H,9H2,1H3
InChIKeyXHGHXTQOSHTODG-UHFFFAOYSA-N
XLogP2.46
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanone (CID 63381107) is 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanone is COc1ccc(C(=O)CSc2cnccn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanone?
The InChIKey is XHGHXTQOSHTODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-17-11-4-2-10(3-5-11)12(16)9-18-13-8-14-6-7-15-13/h2-8H,9H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanone?
1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanone has a molecular weight of 260.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanone is sourced from PubChem (CID 63381107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).